Astronomical CH3+ rovibrational assignments A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk★
14 pags., 13 figs., 3 tabs.
| Autores: | , , , , , , , , , , , , , , , , , , , , , , , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2023 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/348309 |
| Acceso en línea: | http://hdl.handle.net/10261/348309 https://api.elsevier.com/content/abstract/scopus_id/85179812853 |
| Access Level: | acceso abierto |
| Palabra clave: | Astrochemistry Line: identification Methods: laboratory: molecular Protoplanetary disks |
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Astronomical CH3+ rovibrational assignments A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk★ |
| title |
Astronomical CH3+ rovibrational assignments A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk★ |
| spellingShingle |
Astronomical CH3+ rovibrational assignments A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk★ Changala, P. Bryan Astrochemistry Line: identification Methods: laboratory: molecular Protoplanetary disks |
| title_short |
Astronomical CH3+ rovibrational assignments A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk★ |
| title_full |
Astronomical CH3+ rovibrational assignments A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk★ |
| title_fullStr |
Astronomical CH3+ rovibrational assignments A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk★ |
| title_full_unstemmed |
Astronomical CH3+ rovibrational assignments A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk★ |
| title_sort |
Astronomical CH3+ rovibrational assignments A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk★ |
| dc.creator.none.fl_str_mv |
Changala, P. Bryan Chen, Ning L. Le, Hai L. Gans, Bérenger Steenbakkers, Kim Salomon, Thomas Bonah, Luis Schroetter, Ilane Canin, Amélie Martin-Drumel, Marie Aline Jacovella, Ugo Dartois, Emmanuel Boyé-Péronne, Séverine Alcaraz, Christian Asvany, Oskar Brünken, Sandra Thorwirth, Sven Schlemmer, Stephan Goicoechea, Javier R. Rouillé, Gaël Sidhu, Ameek Chown, Ryan Van De Putte, Dries Trahin, Boris Alarcón, Felipe Berné, Olivier Habart, Emilie Peeters, Els |
| author |
Changala, P. Bryan |
| author_facet |
Changala, P. Bryan Chen, Ning L. Le, Hai L. Gans, Bérenger Steenbakkers, Kim Salomon, Thomas Bonah, Luis Schroetter, Ilane Canin, Amélie Martin-Drumel, Marie Aline Jacovella, Ugo Dartois, Emmanuel Boyé-Péronne, Séverine Alcaraz, Christian Asvany, Oskar Brünken, Sandra Thorwirth, Sven Schlemmer, Stephan Goicoechea, Javier R. Rouillé, Gaël Sidhu, Ameek Chown, Ryan Van De Putte, Dries Trahin, Boris Alarcón, Felipe Berné, Olivier Habart, Emilie Peeters, Els |
| author_role |
author |
| author2 |
Chen, Ning L. Le, Hai L. Gans, Bérenger Steenbakkers, Kim Salomon, Thomas Bonah, Luis Schroetter, Ilane Canin, Amélie Martin-Drumel, Marie Aline Jacovella, Ugo Dartois, Emmanuel Boyé-Péronne, Séverine Alcaraz, Christian Asvany, Oskar Brünken, Sandra Thorwirth, Sven Schlemmer, Stephan Goicoechea, Javier R. Rouillé, Gaël Sidhu, Ameek Chown, Ryan Van De Putte, Dries Trahin, Boris Alarcón, Felipe Berné, Olivier Habart, Emilie Peeters, Els |
| author2_role |
author author author author author author author author author author author author author author author author author author author author author author author author author author author |
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National Science Foundation (US) Agence Nationale de la Recherche (France) Centre National de la Recherche Scientifique (France) Université Paris-Saclay Université Paris-Sud Centre National D'Etudes Spatiales (France) Radboud University Dutch Research Council European Commission German Research Foundation Ministerio de Ciencia e Innovación (España) #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# #NODATA# Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72] |
| dc.subject.none.fl_str_mv |
Astrochemistry Line: identification Methods: laboratory: molecular Protoplanetary disks |
| topic |
Astrochemistry Line: identification Methods: laboratory: molecular Protoplanetary disks |
| description |
14 pags., 13 figs., 3 tabs. |
| publishDate |
2023 |
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2023 2024 2024 |
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info:eu-repo/semantics/article http://purl.org/coar/resource_type/c_6501 Publisher's version info:eu-repo/semantics/publishedVersion |
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article |
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publishedVersion |
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http://hdl.handle.net/10261/348309 https://api.elsevier.com/content/abstract/scopus_id/85179812853 |
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http://hdl.handle.net/10261/348309 https://api.elsevier.com/content/abstract/scopus_id/85179812853 |
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Inglés |
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Inglés |
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openAccess |
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EDP Sciences |
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Astronomical CH3+ rovibrational assignments A combined theoretical and experimental study validating observational findings in the d203-506 UV-irradiated protoplanetary disk★Changala, P. BryanChen, Ning L.Le, Hai L.Gans, BérengerSteenbakkers, KimSalomon, ThomasBonah, LuisSchroetter, IlaneCanin, AmélieMartin-Drumel, Marie AlineJacovella, UgoDartois, EmmanuelBoyé-Péronne, SéverineAlcaraz, ChristianAsvany, OskarBrünken, SandraThorwirth, SvenSchlemmer, StephanGoicoechea, Javier R.Rouillé, GaëlSidhu, AmeekChown, RyanVan De Putte, DriesTrahin, BorisAlarcón, FelipeBerné, OlivierHabart, EmiliePeeters, ElsAstrochemistryLine: identificationMethods: laboratory: molecularProtoplanetary disks14 pags., 13 figs., 3 tabs.Context. The methyl cation (CH3+) has recently been discovered in the interstellar medium through the detection of 7 μm (1400 cm-1) features toward the d203-506 protoplanetary disk by the JWST. Line-by-line spectroscopic assignments of these features, however, were unsuccessful due to complex intramolecular perturbations preventing a determination of the excitation and abundance of the species in that source. Aims. Comprehensive rovibrational assignments guided by theoretical and experimental laboratory techniques provide insight into the excitation mechanisms and chemistry of CH3+ in d203-506. Methods. The rovibrational structure of CH3+ was studied theoretically by a combination of coupled-cluster electronic structure theory and (quasi-)variational nuclear motion calculations. Two experimental techniques were used to confirm the rovibrational structure of CH3+:(1) infrared leak-out spectroscopy of the methyl cation, and (2) rotationally resolved photoelectron spectroscopy of the methyl radical (CH3). In (1), CH3+ ions, produced by the electron impact dissociative ionization of methane, were injected into a 22-pole ion trap where they were probed by the pulses of infrared radiation from the FELIX free electron laser. In (2), neutral CH3, produced by CH3NO2 pyrolysis in a molecular beam, was probed by pulsed-field ionization zero-kinetic-energy photoelectron spectroscopy. Results. The quantum chemical calculations performed in this study have enabled a comprehensive spectroscopic assignment of the v2+ and v4+ bands of CH3+ detected by the JWST. The resulting spectroscopic constants and derived Einstein A coefficients fully reproduce both the infrared and photoelectron spectra and permit the rotational temperature of CH3+ (T = 660 ± 80 K) in d203-506 to be derived. A beam-averaged column density of CH3+ in this protoplanetary disk is also estimated.P.B.C. acknowledges support from the US National Science Foundation (Award Nos. PHY-2110489 and AST-2307137). The photoelectron spectroscopy experiment has received financial support from the French “Agence Nationale de la Recherche” (ANR) under Grant No. ANR-17-CE30-0031-01 (Project PRIMA) and ANR-21-CE29-0017 (Project ZEPHIRS), from the “Institut de Physique” (INP) of CNRS, from Paris Ile-de-France Region (DIM ACAV and DIM ACAV+), from the University of Paris-Saclay (Labex PALM), and from the University Paris-Sud (RTRA Triangle de la Physique). This work was also supported by the Programme National “Physique et Chimie du Milieu Interstellaire” (PCMI), the “Programme National de Planétologie” (PNP) and the “Commission Spécialisée Astronomie-Astrophysique” (CSAA) of CNRS/INSU with INC/INP cofunded by CEA and CNES. We gratefully acknowledge Radboud University and the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for support of the FELIX Laboratory. K.S. is supported by the research program “HFML-FELIX: a Dutch Centre of Excellence for Science under Extreme Conditions” (with project number 184.035.011) of the research program “Nationale Roadmap Grootschalige Wetenschappelijke Infastructuur”, which is financed by NWO. The Cologne team is supported by an ERC advanced grant (MissIons: 101020583) and the Deutsche Forschungsgemeinschaft (DFG) via SFB 1601 (project ID 500700252), subprojects B8 and C4. J.R.G. thanks the Spanish MCINN for funding support under grant PID2019-106110GB-I00.Peer reviewedEDP SciencesNational Science Foundation (US)Agence Nationale de la Recherche (France)Centre National de la Recherche Scientifique (France)Université Paris-SaclayUniversité Paris-SudCentre National D'Etudes Spatiales (France)Radboud UniversityDutch Research CouncilEuropean CommissionGerman Research FoundationMinisterio de Ciencia e Innovación (España)#NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA##NODATA#Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202420242023info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/348309https://api.elsevier.com/content/abstract/scopus_id/85179812853reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/EC/H2020/101020583info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-106110GB-I00Astronomy and Astrophysicshttps://doi.org/10.1051/0004-6361/202347765Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3483092026-05-22T06:33:51Z |
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